Probing the Applicability of Polarizable Force-Field Molecular Dynamics for Parallel Architectures: A Comparison of Digital MPI with LAM-MPI and MPICH2.
Benjamin AlmeidaReema MahajanDieter KranzlmüllerJens VolkertSiegfried HöfingerPublished in: PVM/MPI (2005)
Keyphrases
- message passing interface
- high performance computing
- parallel architectures
- molecular dynamics
- massively parallel
- force field
- shared memory
- parallel computing
- parallel computers
- parallel programming
- parallel algorithm
- parallel processing
- computing systems
- message passing
- parallel implementation
- grid computing
- active contour model
- computing resources
- fault tolerance
- computer architecture
- energy efficiency
- computing environments
- computer systems
- efficient implementation
- databases
- scientific data